(2R,3S)-2-amino-3-(4-chlorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one

C13H17ClN2O2 — CID 24759914

IUPAC(2R,3S)-2-amino-3-(4-chlorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
SMILESN[C@@H](C(=O)N1CCCC1)[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2/c14-10-5-3-9(4-6-10)12(17)11(15)13(18)16-7-1-2-8-16/h3-6,11-12,17H,1-2,7-8,15H2/t11-,12+/m1/s1
InChIKeyZXVZTSAGFRYFBJ-NEPJUHHUSA-N
MW268.74 g/mol
LogP1.32
Rot. Bonds3

About (2R,3S)-2-amino-3-(4-chlorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one

(2R,3S)-2-amino-3-(4-chlorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 24759914) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (2R,3S)-2-amino-3-(4-chlorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R,3S)-2-amino-3-(4-chlorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
PubChem CID24759914
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(2R,3S)-2-amino-3-(4-chlorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
SMILESN[C@@H](C(=O)N1CCCC1)[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2/c14-10-5-3-9(4-6-10)12(17)11(15)13(18)16-7-1-2-8-16/h3-6,11-12,17H,1-2,7-8,15H2/t11-,12+/m1/s1
InChIKeyZXVZTSAGFRYFBJ-NEPJUHHUSA-N
XLogP1.32
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-hydroxy-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 23572000
(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;methane;sulfane
CID 158733904
(2R,3R)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 25155665
2-chloro-2-(4-chlorophenyl)-1-piperidin-1-ylethanone
CID 55047963
2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one
CID 50940502
(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2,3,4-trihydroxybutanoic acid
CID 160911365
2-amino-3-hydroxy-3-(3-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 68959069
(2R,3S)-2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one;methane;sulfane;hydrochloride
CID 161483552
(2S,3R)-2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one;methane;sulfane;hydrochloride
CID 161483551
2-(4-chlorophenyl)-1,4-dipyrrolidin-1-ylbutane-1,4-dione
CID 102277832
2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one;dihydrochloride
CID 68954916
2-amino-3-(4-chlorophenyl)-3,3-difluoro-1-pyrrolidin-1-ylpropan-1-one
CID 135176138

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-amino-3-(4-chlorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2R,3S)-2-amino-3-(4-chlorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one (CID 24759914) is (2R,3S)-2-amino-3-(4-chlorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2R,3S)-2-amino-3-(4-chlorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2R,3S)-2-amino-3-(4-chlorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one is N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1ccc(Cl)cc1.
What is the InChIKey of (2R,3S)-2-amino-3-(4-chlorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is ZXVZTSAGFRYFBJ-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-10-5-3-9(4-6-10)12(17)11(15)13(18)16-7-1-2-8-16/h3-6,11-12,17H,1-2,7-8,15H2/t11-,12+/m1/s1.
What are the key properties of (2R,3S)-2-amino-3-(4-chlorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
(2R,3S)-2-amino-3-(4-chlorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 268.74 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-amino-3-(4-chlorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 24759914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).